S-(3-cyano-6-phenyl-pyridin-2-yl) 3-nitrobenzenecarbothioate

Systemtic Name: S-(3-cyano-6-phenyl-pyridin-2-yl) 3-nitrobenzenecarbothioate Openeye Name: S-(3-cyano-6-phenyl-2-pyridyl) 3-nitrobenzenecarbothioate CAS Name: 3-nitrobenzenecarbothioic acid S-(3-cyano-6-phenyl-2-pyridinyl) ester IUPAC Name: S-(3-cyano-6-phenylpyridin-2-yl) 3-nitrobenzenecarbothioate Traditional Name: 3-nitrothiobenzoic acid S-(3-cyano-6-phenyl-2-pyridyl) ester Formula: C19H11N3O3S MolecularWeight: 361.37394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H11N3O3S/c20-12-15-9-10-17(13-5-2-1-3-6-13)21-18(15)26-19(23)14-7-4-8-16(11-14)22(24)25/h1-11H